(2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol

C13H22O5 — CID 538746

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
SMILESC=CC1OC(C)(C)OC1C(O)C1COC(C)(C)O1
InChIInChI=1S/C13H22O5/c1-6-8-11(18-13(4,5)16-8)10(14)9-7-15-12(2,3)17-9/h6,8-11,14H,1,7H2,2-5H3
InChIKeyZQUFIYCCFZOXLJ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.20
Rot. Bonds3

About (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol

(2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol (PubChem CID 538746) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
PubChem CID538746
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
SMILESC=CC1OC(C)(C)OC1C(O)C1COC(C)(C)O1
InChIInChI=1S/C13H22O5/c1-6-8-11(18-13(4,5)16-8)10(14)9-7-15-12(2,3)17-9/h6,8-11,14H,1,7H2,2-5H3
InChIKeyZQUFIYCCFZOXLJ-UHFFFAOYSA-N
XLogP1.20
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Prop-2-En-1-Yl Beta-D-Galactofuranoside
CID 101552123
(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
Vinylsucrose
CID 129844703
(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3R)-2-(2-methoxyethenyl)-1,4-dioxaspiro[4.5]decan-3-yl]methanol
CID 135025155
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 10890622
(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10956243
(S)-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3R)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol
CID 11003134
(1R)-1-[(4R,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11009419
1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]but-3-en-1-ol
CID 11095962
(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11263931

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol (CID 538746) is (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol is C=CC1OC(C)(C)OC1C(O)C1COC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is ZQUFIYCCFZOXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-6-8-11(18-13(4,5)16-8)10(14)9-7-15-12(2,3)17-9/h6,8-11,14H,1,7H2,2-5H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
(2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 258.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 538746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).